Effect of scandium on the optical properties of crystalline silicon material

We have studied the optical properties of Sc-hyperdoped crystalline silicon based on quantum calculations. We have designed several probable configurations and found that the interstitial atomic positions of Sc (Sc_I, Sc_SI, Sc_TI, Sc_HI) are stable in the silicon matrix and can largely extend the absorption range of silicon from visible to infrared. The sub-band gap light absorption is attributed to the change of band structures of silicon and its intensity depends on the atomic concentration of Sc in silicon. The special effect of Sc on the properties of silicon will extend the sensitivity of silicon-based photodetectors to near infrared wavelength range.